(2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

C189H208N28O44 — CID 155533241

IUPAC(2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(CCC(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)NC(=O)CCOCC(COCCC(=O)NC(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)(COCCC(=O)NC(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)COCCC(=O)NC(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C189H208N28O44/c218-157(202-145(173(234)235)81-109-93-190-133-37-13-1-25-121(109)133)49-65-186(66-50-158(219)203-146(174(236)237)82-110-94-191-134-38-14-2-26-122(110)134,67-51-159(220)204-147(175(238)239)83-111-95-192-135-39-15-3-27-123(111)135)214-169(230)61-77-258-105-185(106-259-78-62-170(231)215-187(68-52-160(221)205-148(176(240)241)84-112-96-193-136-40-16-4-28-124(112)136,69-53-161(222)206-149(177(242)243)85-113-97-194-137-41-17-5-29-125(113)137)70-54-162(223)207-150(178(244)245)86-114-98-195-138-42-18-6-30-126(114)138,107-260-79-63-171(232)216-188(71-55-163(224)208-151(179(246)247)87-115-99-196-139-43-19-7-31-127(115)139,72-56-164(225)209-152(180(248)249)88-116-100-197-140-44-20-8-32-128(116)140)73-57-165(226)210-153(181(250)251)89-117-101-198-141-45-21-9-33-129(117)141)108-261-80-64-172(233)217-189(74-58-166(227)211-154(182(252)253)90-118-102-199-142-46-22-10-34-130(118)142,75-59-167(228)212-155(183(254)255)91-119-103-200-143-47-23-11-35-131(119)143)76-60-168(229)213-156(184(256)257)92-120-104-201-144-48-24-12-36-132(120)144/h1-48,93-104,145-156,190-201H,49-92,105-108H2,(H,202,218)(H,203,219)(H,204,220)(H,205,221)(H,206,222)(H,207,223)(H,208,224)(H,209,225)(H,210,226)(H,211,227)(H,212,228)(H,213,229)(H,214,230)(H,215,231)(H,216,232)(H,217,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)/t145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-/m1/s1
InChIKeyAAGKSFKIDRVTPT-XIFAEPIKSA-N
MW3575.89 g/mol
LogP15.90
Rot. Bonds108

About (2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

(2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid (PubChem CID 155533241) has the molecular formula C189H208N28O44 and a molecular weight of 3575.89 g/mol. Its IUPAC name is (2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
PubChem CID155533241
Molecular FormulaC189H208N28O44
Molecular Weight3575.89 g/mol
Exact Mass3573.49
IUPAC Name(2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(CCC(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)NC(=O)CCOCC(COCCC(=O)NC(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)(COCCC(=O)NC(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)COCCC(=O)NC(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C189H208N28O44/c218-157(202-145(173(234)235)81-109-93-190-133-37-13-1-25-121(109)133)49-65-186(66-50-158(219)203-146(174(236)237)82-110-94-191-134-38-14-2-26-122(110)134,67-51-159(220)204-147(175(238)239)83-111-95-192-135-39-15-3-27-123(111)135)214-169(230)61-77-258-105-185(106-259-78-62-170(231)215-187(68-52-160(221)205-148(176(240)241)84-112-96-193-136-40-16-4-28-124(112)136,69-53-161(222)206-149(177(242)243)85-113-97-194-137-41-17-5-29-125(113)137)70-54-162(223)207-150(178(244)245)86-114-98-195-138-42-18-6-30-126(114)138,107-260-79-63-171(232)216-188(71-55-163(224)208-151(179(246)247)87-115-99-196-139-43-19-7-31-127(115)139,72-56-164(225)209-152(180(248)249)88-116-100-197-140-44-20-8-32-128(116)140)73-57-165(226)210-153(181(250)251)89-117-101-198-141-45-21-9-33-129(117)141)108-261-80-64-172(233)217-189(74-58-166(227)211-154(182(252)253)90-118-102-199-142-46-22-10-34-130(118)142,75-59-167(228)212-155(183(254)255)91-119-103-200-143-47-23-11-35-131(119)143)76-60-168(229)213-156(184(256)257)92-120-104-201-144-48-24-12-36-132(120)144/h1-48,93-104,145-156,190-201H,49-92,105-108H2,(H,202,218)(H,203,219)(H,204,220)(H,205,221)(H,206,222)(H,207,223)(H,208,224)(H,209,225)(H,210,226)(H,211,227)(H,212,228)(H,213,229)(H,214,230)(H,215,231)(H,216,232)(H,217,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)/t145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-/m1/s1
InChIKeyAAGKSFKIDRVTPT-XIFAEPIKSA-N
XLogP15.90
TPSA1139.60 Ų
H-Bond Donors40
H-Bond Acceptors32
Rotatable Bonds108
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003575.89
LogP ≤ 515.90
H-Bond Donors ≤ 540
H-Bond Acceptors ≤ 1032

Analyze (2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid?
The IUPAC name of (2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid (CID 155533241) is (2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for (2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for (2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid is O=C(CCC(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)NC(=O)CCOCC(COCCC(=O)NC(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)(COCCC(=O)NC(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)COCCC(=O)NC(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)(CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of (2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid?
The InChIKey is AAGKSFKIDRVTPT-XIFAEPIKSA-N. The full InChI is InChI=1S/C189H208N28O44/c218-157(202-145(173(234)235)81-109-93-190-133-37-13-1-25-121(109)133)49-65-186(66-50-158(219)203-146(174(236)237)82-110-94-191-134-38-14-2-26-122(110)134,67-51-159(220)204-147(175(238)239)83-111-95-192-135-39-15-3-27-123(111)135)214-169(230)61-77-258-105-185(106-259-78-62-170(231)215-187(68-52-160(221)205-148(176(240)241)84-112-96-193-136-40-16-4-28-124(112)136,69-53-161(222)206-149(177(242)243)85-113-97-194-137-41-17-5-29-125(113)137)70-54-162(223)207-150(178(244)245)86-114-98-195-138-42-18-6-30-126(114)138,107-260-79-63-171(232)216-188(71-55-163(224)208-151(179(246)247)87-115-99-196-139-43-19-7-31-127(115)139,72-56-164(225)209-152(180(248)249)88-116-100-197-140-44-20-8-32-128(116)140)73-57-165(226)210-153(181(250)251)89-117-101-198-141-45-21-9-33-129(117)141)108-261-80-64-172(233)217-189(74-58-166(227)211-154(182(252)253)90-118-102-199-142-46-22-10-34-130(118)142,75-59-167(228)212-155(183(254)255)91-119-103-200-143-47-23-11-35-131(119)143)76-60-168(229)213-156(184(256)257)92-120-104-201-144-48-24-12-36-132(120)144/h1-48,93-104,145-156,190-201H,49-92,105-108H2,(H,202,218)(H,203,219)(H,204,220)(H,205,221)(H,206,222)(H,207,223)(H,208,224)(H,209,225)(H,210,226)(H,211,227)(H,212,228)(H,213,229)(H,214,230)(H,215,231)(H,216,232)(H,217,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)/t145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-/m1/s1.
What are the key properties of (2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid?
(2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid has a molecular weight of 3575.89 g/mol, XLogP of 15.90, 108 rotatable bonds, 40 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-[3-[3-[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1,7-bis[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]-7-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-[3-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-7-oxoheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 155533241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).