2-[2-[3-[[1-[2-[2-[(3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoyl]oxyethoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]methyl]-2,5-dioxopyrrolidin-1-yl]ethoxy]ethyl (3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate

C141H216N16O34 — CID 58185718

About 2-[2-[3-[[1-[2-[2-[(3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoyl]oxyethoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]methyl]-2,5-dioxopyrrolidin-1-yl]ethoxy]ethyl (3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate

2-[2-[3-[[1-[2-[2-[(3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoyl]oxyethoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]methyl]-2,5-dioxopyrrolidin-1-yl]ethoxy]ethyl (3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate (PubChem CID 58185718) has the molecular formula C141H216N16O34 and a molecular weight of 2679.36 g/mol. Its IUPAC name is 2-[2-[3-[[1-[2-[2-[(3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoyl]oxyethoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]methyl]-2,5-dioxopyrrolidin-1-yl]ethoxy]ethyl (3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate.

Molecular Properties

• Compound Name: 2-[2-[3-[[1-[2-[2-[(3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoyl]oxyethoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]methyl]-2,5-dioxopyrrolidin-1-yl]ethoxy]ethyl (3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate
• PubChem CID: 58185718
• Molecular Formula: C141H216N16O34
• Molecular Weight: 2679.36 g/mol
• Exact Mass: 2677.57
• IUPAC Name: 2-[2-[3-[[1-[2-[2-[(3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoyl]oxyethoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]methyl]-2,5-dioxopyrrolidin-1-yl]ethoxy]ethyl (3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate
• SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](CO)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](CC(=O)C(C(C)C)N(C)C(=O)OCc1ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)C(CC(=O)OCCOCCN2C(=O)CC(CC3CC(=O)N(CCOCCOC(=O)C[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Cc4ccc(COC(=O)N(C)C(C(=O)C[C@H](C(=O)N(C)[C@@H]([C@@H](C)CC)[C@@H](CC(=O)N5CCC[C@H]5[C@H](CO)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c5ccccc5)OC)C(C)C)C(C)C)cc4)C(C)C)C3=O)C2=O)C(C)C)cc1)C(C)C
• InChI: InChI=1S/C141H216N16O34/c1-27-88(15)126(116(184-25)76-120(166)154-57-37-45-110(154)106(78-158)90(17)130(172)146-92(19)128(170)98-39-31-29-32-40-98)150(21)136(178)104(84(7)8)72-114(162)124(86(11)12)152(23)140(182)190-80-96-51-47-94(48-52-96)67-112(160)108(43-35-55-144-138(142)180)148-132(174)102(82(3)4)74-122(168)188-65-63-186-61-59-156-118(164)70-100(134(156)176)69-101-71-119(165)157(135(101)177)60-62-187-64-66-189-123(169)75-103(83(5)6)133(175)149-109(44-36-56-145-139(143)181)113(161)68-95-49-53-97(54-50-95)81-191-141(183)153(24)125(87(13)14)115(163)73-105(85(9)10)137(179)151(22)127(89(16)28-2)117(185-26)77-121(167)155-58-38-46-111(155)107(79-159)91(18)131(173)147-93(20)129(171)99-41-33-30-34-42-99/h29-34,39-42,47-54,82-93,100-111,116-117,124-129,158-159,170-171H,27-28,35-38,43-46,55-81H2,1-26H3,(H,146,172)(H,147,173)(H,148,174)(H,149,175)(H3,142,144,180)(H3,143,145,181)/t88-,89-,90+,91+,92+,93+,100?,101?,102-,103?,104-,105-,106+,107+,108-,109-,110-,111-,116+,117+,124?,125?,126-,127-,128+,129+/m0/s1
• InChIKey: RKIXYWPDJYQIFO-KZWTVIIISA-N
• XLogP: 11.21
• TPSA: 680.44 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 84
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2679.36
LogP ≤ 5	11.21
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[[1-[2-[2-[(3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoyl]oxyethoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]methyl]-2,5-dioxopyrrolidin-1-yl]ethoxy]ethyl (3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate?

The IUPAC name of 2-[2-[3-[[1-[2-[2-[(3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoyl]oxyethoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]methyl]-2,5-dioxopyrrolidin-1-yl]ethoxy]ethyl (3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate (CID 58185718) is 2-[2-[3-[[1-[2-[2-[(3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoyl]oxyethoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]methyl]-2,5-dioxopyrrolidin-1-yl]ethoxy]ethyl (3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate.

What is the SMILES notation for 2-[2-[3-[[1-[2-[2-[(3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoyl]oxyethoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]methyl]-2,5-dioxopyrrolidin-1-yl]ethoxy]ethyl (3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate?

The canonical SMILES for 2-[2-[3-[[1-[2-[2-[(3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoyl]oxyethoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]methyl]-2,5-dioxopyrrolidin-1-yl]ethoxy]ethyl (3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate is CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](CO)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](CC(=O)C(C(C)C)N(C)C(=O)OCc1ccc(CC(=O)[C@H](CCCNC(N)=O)NC(=O)C(CC(=O)OCCOCCN2C(=O)CC(CC3CC(=O)N(CCOCCOC(=O)C[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Cc4ccc(COC(=O)N(C)C(C(=O)C[C@H](C(=O)N(C)[C@@H]([C@@H](C)CC)[C@@H](CC(=O)N5CCC[C@H]5[C@H](CO)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c5ccccc5)OC)C(C)C)C(C)C)cc4)C(C)C)C3=O)C2=O)C(C)C)cc1)C(C)C.

What is the InChIKey of 2-[2-[3-[[1-[2-[2-[(3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoyl]oxyethoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]methyl]-2,5-dioxopyrrolidin-1-yl]ethoxy]ethyl (3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate?

The InChIKey is RKIXYWPDJYQIFO-KZWTVIIISA-N. The full InChI is InChI=1S/C141H216N16O34/c1-27-88(15)126(116(184-25)76-120(166)154-57-37-45-110(154)106(78-158)90(17)130(172)146-92(19)128(170)98-39-31-29-32-40-98)150(21)136(178)104(84(7)8)72-114(162)124(86(11)12)152(23)140(182)190-80-96-51-47-94(48-52-96)67-112(160)108(43-35-55-144-138(142)180)148-132(174)102(82(3)4)74-122(168)188-65-63-186-61-59-156-118(164)70-100(134(156)176)69-101-71-119(165)157(135(101)177)60-62-187-64-66-189-123(169)75-103(83(5)6)133(175)149-109(44-36-56-145-139(143)181)113(161)68-95-49-53-97(54-50-95)81-191-141(183)153(24)125(87(13)14)115(163)73-105(85(9)10)137(179)151(22)127(89(16)28-2)117(185-26)77-121(167)155-58-38-46-111(155)107(79-159)91(18)131(173)147-93(20)129(171)99-41-33-30-34-42-99/h29-34,39-42,47-54,82-93,100-111,116-117,124-129,158-159,170-171H,27-28,35-38,43-46,55-81H2,1-26H3,(H,146,172)(H,147,173)(H,148,174)(H,149,175)(H3,142,144,180)(H3,143,145,181)/t88-,89-,90+,91+,92+,93+,100?,101?,102-,103?,104-,105-,106+,107+,108-,109-,110-,111-,116+,117+,124?,125?,126-,127-,128+,129+/m0/s1.

What are the key properties of 2-[2-[3-[[1-[2-[2-[(3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoyl]oxyethoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]methyl]-2,5-dioxopyrrolidin-1-yl]ethoxy]ethyl (3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate?

2-[2-[3-[[1-[2-[2-[(3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoyl]oxyethoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]methyl]-2,5-dioxopyrrolidin-1-yl]ethoxy]ethyl (3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate has a molecular weight of 2679.36 g/mol, XLogP of 11.21, 84 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[[1-[2-[2-[(3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoyl]oxyethoxy]ethyl]-2,5-dioxopyrrolidin-3-yl]methyl]-2,5-dioxopyrrolidin-1-yl]ethoxy]ethyl (3S)-3-[[(3S)-6-(carbamoylamino)-1-[4-[[[(6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(2R,3R)-1-hydroxy-4-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-3-methyl-4-oxobutan-2-yl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]-2-oxohexan-3-yl]carbamoyl]-4-methylpentanoate is sourced from PubChem (CID 58185718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).