(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(8S,11S)-11-[[(2S)-1-[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid;tert-butyl (6S)-7-[[(2S)-1-[(2S)-2-[[(8S,11S)-8-[[(2S)-1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-2,5,10-trioxo-1,4,9-triazacyclotetradec-11-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoate;methyl (2S)-2-[[(8S,11S)-11-(9H-fluoren-9-ylmethoxycarbonylamino)-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

C150H213N29O38 — CID 159294820

About (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(8S,11S)-11-[[(2S)-1-[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid;tert-butyl (6S)-7-[[(2S)-1-[(2S)-2-[[(8S,11S)-8-[[(2S)-1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-2,5,10-trioxo-1,4,9-triazacyclotetradec-11-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoate;methyl (2S)-2-[[(8S,11S)-11-(9H-fluoren-9-ylmethoxycarbonylamino)-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(8S,11S)-11-[[(2S)-1-[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid;tert-butyl (6S)-7-[[(2S)-1-[(2S)-2-[[(8S,11S)-8-[[(2S)-1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-2,5,10-trioxo-1,4,9-triazacyclotetradec-11-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoate;methyl (2S)-2-[[(8S,11S)-11-(9H-fluoren-9-ylmethoxycarbonylamino)-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate (PubChem CID 159294820) has the molecular formula C150H213N29O38 and a molecular weight of 3030.52 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(8S,11S)-11-[[(2S)-1-[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid;tert-butyl (6S)-7-[[(2S)-1-[(2S)-2-[[(8S,11S)-8-[[(2S)-1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-2,5,10-trioxo-1,4,9-triazacyclotetradec-11-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoate;methyl (2S)-2-[[(8S,11S)-11-(9H-fluoren-9-ylmethoxycarbonylamino)-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate.

Molecular Properties

• Compound Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(8S,11S)-11-[[(2S)-1-[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid;tert-butyl (6S)-7-[[(2S)-1-[(2S)-2-[[(8S,11S)-8-[[(2S)-1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-2,5,10-trioxo-1,4,9-triazacyclotetradec-11-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoate;methyl (2S)-2-[[(8S,11S)-11-(9H-fluoren-9-ylmethoxycarbonylamino)-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate
• PubChem CID: 159294820
• Molecular Formula: C150H213N29O38
• Molecular Weight: 3030.52 g/mol
• Exact Mass: 3028.56
• IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(8S,11S)-11-[[(2S)-1-[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid;tert-butyl (6S)-7-[[(2S)-1-[(2S)-2-[[(8S,11S)-8-[[(2S)-1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-2,5,10-trioxo-1,4,9-triazacyclotetradec-11-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoate;methyl (2S)-2-[[(8S,11S)-11-(9H-fluoren-9-ylmethoxycarbonylamino)-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate
• SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCC(=O)NCC(=O)NCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@@H](N)CCCN)C(=O)N1)C(=O)O.COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@@H]1CCC(=O)NCC(=O)NCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N1.COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@@H]1CCC(=O)NCC(=O)NCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N1
• InChI: InChI=1S/C57H84N14O13.C51H79N9O15.C42H50N6O10/c1-32(2)27-45(57(83)84)70-54(80)44(29-35-30-62-39-13-5-4-11-37(35)39)69-53(79)43(28-34-17-19-36(72)20-18-34)68-51(77)40(14-6-7-23-58)65-52(78)42-21-22-47(73)63-31-48(74)61-25-9-15-41(50(76)66-42)67-55(81)46-16-10-26-71(46)56(82)33(3)64-49(75)38(60)12-8-24-59;1-32(55-42(64)35(59-49(71)75-51(5,6)7)20-12-13-24-41(63)74-50(2,3)4)46(68)60-29-17-23-38(60)45(67)57-34-22-16-28-52-40(62)30-54-39(61)26-25-36(56-43(34)65)44(66)58-37(47(69)72-8)21-14-15-27-53-48(70)73-31-33-18-10-9-11-19-33;1-56-40(53)35(18-9-10-22-44-41(54)57-25-27-12-3-2-4-13-27)47-39(52)34-20-21-36(49)45-24-37(50)43-23-11-19-33(38(51)46-34)48-42(55)58-26-32-30-16-7-5-14-28(30)29-15-6-8-17-31(29)32/h4-5,11,13,17-20,30,32-33,38,40-46,62,72H,6-10,12,14-16,21-29,31,58-60H2,1-3H3,(H,61,74)(H,63,73)(H,64,75)(H,65,78)(H,66,76)(H,67,81)(H,68,77)(H,69,79)(H,70,80)(H,83,84);9-11,18-19,32,34-38H,12-17,20-31H2,1-8H3,(H,52,62)(H,53,70)(H,54,61)(H,55,64)(H,56,65)(H,57,67)(H,58,66)(H,59,71);2-8,12-17,32-35H,9-11,18-26H2,1H3,(H,43,50)(H,44,54)(H,45,49)(H,46,51)(H,47,52)(H,48,55)/t33-,38-,40-,41-,42-,43-,44-,45-,46-;32-,34-,35-,36-,37-,38-;33-,34-,35-/m000/s1
• InChIKey: LAORLZUQLXPBHN-RTOJRXRGSA-N
• XLogP: 2.94
• TPSA: 977.12 Ų
• H-Bond Donors: 29
• H-Bond Acceptors: 40
• Rotatable Bonds: 61
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3030.52
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	29
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(8S,11S)-11-[[(2S)-1-[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid;tert-butyl (6S)-7-[[(2S)-1-[(2S)-2-[[(8S,11S)-8-[[(2S)-1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-2,5,10-trioxo-1,4,9-triazacyclotetradec-11-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoate;methyl (2S)-2-[[(8S,11S)-11-(9H-fluoren-9-ylmethoxycarbonylamino)-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate?

The IUPAC name of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(8S,11S)-11-[[(2S)-1-[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid;tert-butyl (6S)-7-[[(2S)-1-[(2S)-2-[[(8S,11S)-8-[[(2S)-1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-2,5,10-trioxo-1,4,9-triazacyclotetradec-11-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoate;methyl (2S)-2-[[(8S,11S)-11-(9H-fluoren-9-ylmethoxycarbonylamino)-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate (CID 159294820) is (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(8S,11S)-11-[[(2S)-1-[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid;tert-butyl (6S)-7-[[(2S)-1-[(2S)-2-[[(8S,11S)-8-[[(2S)-1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-2,5,10-trioxo-1,4,9-triazacyclotetradec-11-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoate;methyl (2S)-2-[[(8S,11S)-11-(9H-fluoren-9-ylmethoxycarbonylamino)-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate.

What is the SMILES notation for (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(8S,11S)-11-[[(2S)-1-[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid;tert-butyl (6S)-7-[[(2S)-1-[(2S)-2-[[(8S,11S)-8-[[(2S)-1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-2,5,10-trioxo-1,4,9-triazacyclotetradec-11-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoate;methyl (2S)-2-[[(8S,11S)-11-(9H-fluoren-9-ylmethoxycarbonylamino)-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate?

The canonical SMILES for (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(8S,11S)-11-[[(2S)-1-[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid;tert-butyl (6S)-7-[[(2S)-1-[(2S)-2-[[(8S,11S)-8-[[(2S)-1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-2,5,10-trioxo-1,4,9-triazacyclotetradec-11-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoate;methyl (2S)-2-[[(8S,11S)-11-(9H-fluoren-9-ylmethoxycarbonylamino)-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate is CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCC(=O)NCC(=O)NCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@@H](N)CCCN)C(=O)N1)C(=O)O.COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@@H]1CCC(=O)NCC(=O)NCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N1.COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@@H]1CCC(=O)NCC(=O)NCCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N1.

What is the InChIKey of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(8S,11S)-11-[[(2S)-1-[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid;tert-butyl (6S)-7-[[(2S)-1-[(2S)-2-[[(8S,11S)-8-[[(2S)-1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-2,5,10-trioxo-1,4,9-triazacyclotetradec-11-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoate;methyl (2S)-2-[[(8S,11S)-11-(9H-fluoren-9-ylmethoxycarbonylamino)-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate?

The InChIKey is LAORLZUQLXPBHN-RTOJRXRGSA-N. The full InChI is InChI=1S/C57H84N14O13.C51H79N9O15.C42H50N6O10/c1-32(2)27-45(57(83)84)70-54(80)44(29-35-30-62-39-13-5-4-11-37(35)39)69-53(79)43(28-34-17-19-36(72)20-18-34)68-51(77)40(14-6-7-23-58)65-52(78)42-21-22-47(73)63-31-48(74)61-25-9-15-41(50(76)66-42)67-55(81)46-16-10-26-71(46)56(82)33(3)64-49(75)38(60)12-8-24-59;1-32(55-42(64)35(59-49(71)75-51(5,6)7)20-12-13-24-41(63)74-50(2,3)4)46(68)60-29-17-23-38(60)45(67)57-34-22-16-28-52-40(62)30-54-39(61)26-25-36(56-43(34)65)44(66)58-37(47(69)72-8)21-14-15-27-53-48(70)73-31-33-18-10-9-11-19-33;1-56-40(53)35(18-9-10-22-44-41(54)57-25-27-12-3-2-4-13-27)47-39(52)34-20-21-36(49)45-24-37(50)43-23-11-19-33(38(51)46-34)48-42(55)58-26-32-30-16-7-5-14-28(30)29-15-6-8-17-31(29)32/h4-5,11,13,17-20,30,32-33,38,40-46,62,72H,6-10,12,14-16,21-29,31,58-60H2,1-3H3,(H,61,74)(H,63,73)(H,64,75)(H,65,78)(H,66,76)(H,67,81)(H,68,77)(H,69,79)(H,70,80)(H,83,84);9-11,18-19,32,34-38H,12-17,20-31H2,1-8H3,(H,52,62)(H,53,70)(H,54,61)(H,55,64)(H,56,65)(H,57,67)(H,58,66)(H,59,71);2-8,12-17,32-35H,9-11,18-26H2,1H3,(H,43,50)(H,44,54)(H,45,49)(H,46,51)(H,47,52)(H,48,55)/t33-,38-,40-,41-,42-,43-,44-,45-,46-;32-,34-,35-,36-,37-,38-;33-,34-,35-/m000/s1.

What are the key properties of (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(8S,11S)-11-[[(2S)-1-[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid;tert-butyl (6S)-7-[[(2S)-1-[(2S)-2-[[(8S,11S)-8-[[(2S)-1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-2,5,10-trioxo-1,4,9-triazacyclotetradec-11-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoate;methyl (2S)-2-[[(8S,11S)-11-(9H-fluoren-9-ylmethoxycarbonylamino)-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate?

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(8S,11S)-11-[[(2S)-1-[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid;tert-butyl (6S)-7-[[(2S)-1-[(2S)-2-[[(8S,11S)-8-[[(2S)-1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-2,5,10-trioxo-1,4,9-triazacyclotetradec-11-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoate;methyl (2S)-2-[[(8S,11S)-11-(9H-fluoren-9-ylmethoxycarbonylamino)-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate has a molecular weight of 3030.52 g/mol, XLogP of 2.94, 61 rotatable bonds, 29 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(8S,11S)-11-[[(2S)-1-[(2S)-2-[[(2S)-2,5-diaminopentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid;tert-butyl (6S)-7-[[(2S)-1-[(2S)-2-[[(8S,11S)-8-[[(2S)-1-methoxy-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-2,5,10-trioxo-1,4,9-triazacyclotetradec-11-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptanoate;methyl (2S)-2-[[(8S,11S)-11-(9H-fluoren-9-ylmethoxycarbonylamino)-2,5,10-trioxo-1,4,9-triazacyclotetradecane-8-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate is sourced from PubChem (CID 159294820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).