(4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methoxycarbonylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoic acid;methane;methyl 4-[2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;methyl 4-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;(2S)-2-(2-methylpropoxycarbonylamino)pentanoic acid

C137H190Cl4N16O35S5 — CID 159243966

About (4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methoxycarbonylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoic acid;methane;methyl 4-[2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;methyl 4-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;(2S)-2-(2-methylpropoxycarbonylamino)pentanoic acid

(4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methoxycarbonylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoic acid;methane;methyl 4-[2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;methyl 4-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;(2S)-2-(2-methylpropoxycarbonylamino)pentanoic acid (PubChem CID 159243966) has the molecular formula C137H190Cl4N16O35S5 and a molecular weight of 2923.25 g/mol. Its IUPAC name is (4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methoxycarbonylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoic acid;methane;methyl 4-[2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;methyl 4-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;(2S)-2-(2-methylpropoxycarbonylamino)pentanoic acid.

Molecular Properties

• Compound Name: (4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methoxycarbonylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoic acid;methane;methyl 4-[2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;methyl 4-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;(2S)-2-(2-methylpropoxycarbonylamino)pentanoic acid
• PubChem CID: 159243966
• Molecular Formula: C137H190Cl4N16O35S5
• Molecular Weight: 2923.25 g/mol
• Exact Mass: 2919.09
• IUPAC Name: (4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methoxycarbonylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoic acid;methane;methyl 4-[2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;methyl 4-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;(2S)-2-(2-methylpropoxycarbonylamino)pentanoic acid
• SMILES: C.CCC[C@H](NC(=O)OCC(C)C)C(=O)O.CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.COC(=O)c1ccc(CCNC(=O)[C@@H](N)CS)c(Cl)c1.COC(=O)c1ccc(CCNC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(C)C)c(Cl)c1.COC(=O)c1ccc(CCNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC(C)C)c(Cl)c1.Cc1ccc(CCNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC(C)C)c(Cl)c1.O=C(N[C@@H](CS)C(=O)O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C29H43ClN4O9S.C28H43ClN4O7S.C19H28ClN3O4S.C19H19NO4.C18H17NO4S.C13H17ClN2O3S.C10H19NO4.CH4/c1-16(2)12-22(32-26(38)21(8-9-24(35)36)34-29(41)43-14-17(3)4)27(39)33-23(15-44)25(37)31-11-10-18-6-7-19(13-20(18)30)28(40)42-5;1-16(2)12-22(31-26(37)21(8-9-24(34)35)33-28(39)40-14-17(3)4)27(38)32-23(15-41)25(36)30-11-10-19-7-6-18(5)13-20(19)29;1-11(2)8-15(21)17(24)23-16(10-28)18(25)22-7-6-12-4-5-13(9-14(12)20)19(26)27-3;1-2-17(18(21)22)20-19(23)24-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;20-17(21)16(10-24)19-18(22)23-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-19-13(18)9-3-2-8(10(14)6-9)4-5-16-12(17)11(15)7-20;1-4-5-8(9(12)13)11-10(14)15-6-7(2)3;/h6-7,13,16-17,21-23,44H,8-12,14-15H2,1-5H3,(H,31,37)(H,32,38)(H,33,39)(H,34,41)(H,35,36);6-7,13,16-17,21-23,41H,8-12,14-15H2,1-5H3,(H,30,36)(H,31,37)(H,32,38)(H,33,39)(H,34,35);4-5,9,11,15-16,28H,6-8,10,21H2,1-3H3,(H,22,25)(H,23,24);3-10,16-17H,2,11H2,1H3,(H,20,23)(H,21,22);1-8,15-16,24H,9-10H2,(H,19,22)(H,20,21);2-3,6,11,20H,4-5,7,15H2,1H3,(H,16,17);7-8H,4-6H2,1-3H3,(H,11,14)(H,12,13);1H4/t2*21-,22-,23-;15-,16-;17-;16-;11-;8-;/m0000000./s1
• InChIKey: KULDMFAYGPGKNA-DRHVZTRBSA-N
• XLogP: 16.38
• TPSA: 770.99 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 37
• Rotatable Bonds: 67
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2923.25
LogP ≤ 5	16.38
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methoxycarbonylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoic acid;methane;methyl 4-[2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;methyl 4-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;(2S)-2-(2-methylpropoxycarbonylamino)pentanoic acid?

The IUPAC name of (4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methoxycarbonylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoic acid;methane;methyl 4-[2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;methyl 4-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;(2S)-2-(2-methylpropoxycarbonylamino)pentanoic acid (CID 159243966) is (4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methoxycarbonylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoic acid;methane;methyl 4-[2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;methyl 4-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;(2S)-2-(2-methylpropoxycarbonylamino)pentanoic acid.

What is the SMILES notation for (4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methoxycarbonylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoic acid;methane;methyl 4-[2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;methyl 4-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;(2S)-2-(2-methylpropoxycarbonylamino)pentanoic acid?

The canonical SMILES for (4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methoxycarbonylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoic acid;methane;methyl 4-[2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;methyl 4-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;(2S)-2-(2-methylpropoxycarbonylamino)pentanoic acid is C.CCC[C@H](NC(=O)OCC(C)C)C(=O)O.CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.COC(=O)c1ccc(CCNC(=O)[C@@H](N)CS)c(Cl)c1.COC(=O)c1ccc(CCNC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(C)C)c(Cl)c1.COC(=O)c1ccc(CCNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC(C)C)c(Cl)c1.Cc1ccc(CCNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC(C)C)c(Cl)c1.O=C(N[C@@H](CS)C(=O)O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of (4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methoxycarbonylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoic acid;methane;methyl 4-[2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;methyl 4-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;(2S)-2-(2-methylpropoxycarbonylamino)pentanoic acid?

The InChIKey is KULDMFAYGPGKNA-DRHVZTRBSA-N. The full InChI is InChI=1S/C29H43ClN4O9S.C28H43ClN4O7S.C19H28ClN3O4S.C19H19NO4.C18H17NO4S.C13H17ClN2O3S.C10H19NO4.CH4/c1-16(2)12-22(32-26(38)21(8-9-24(35)36)34-29(41)43-14-17(3)4)27(39)33-23(15-44)25(37)31-11-10-18-6-7-19(13-20(18)30)28(40)42-5;1-16(2)12-22(31-26(37)21(8-9-24(34)35)33-28(39)40-14-17(3)4)27(38)32-23(15-41)25(36)30-11-10-19-7-6-18(5)13-20(19)29;1-11(2)8-15(21)17(24)23-16(10-28)18(25)22-7-6-12-4-5-13(9-14(12)20)19(26)27-3;1-2-17(18(21)22)20-19(23)24-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;20-17(21)16(10-24)19-18(22)23-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-19-13(18)9-3-2-8(10(14)6-9)4-5-16-12(17)11(15)7-20;1-4-5-8(9(12)13)11-10(14)15-6-7(2)3;/h6-7,13,16-17,21-23,44H,8-12,14-15H2,1-5H3,(H,31,37)(H,32,38)(H,33,39)(H,34,41)(H,35,36);6-7,13,16-17,21-23,41H,8-12,14-15H2,1-5H3,(H,30,36)(H,31,37)(H,32,38)(H,33,39)(H,34,35);4-5,9,11,15-16,28H,6-8,10,21H2,1-3H3,(H,22,25)(H,23,24);3-10,16-17H,2,11H2,1H3,(H,20,23)(H,21,22);1-8,15-16,24H,9-10H2,(H,19,22)(H,20,21);2-3,6,11,20H,4-5,7,15H2,1H3,(H,16,17);7-8H,4-6H2,1-3H3,(H,11,14)(H,12,13);1H4/t2*21-,22-,23-;15-,16-;17-;16-;11-;8-;/m0000000./s1.

What are the key properties of (4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methoxycarbonylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoic acid;methane;methyl 4-[2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;methyl 4-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;(2S)-2-(2-methylpropoxycarbonylamino)pentanoic acid?

(4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methoxycarbonylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoic acid;methane;methyl 4-[2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;methyl 4-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;(2S)-2-(2-methylpropoxycarbonylamino)pentanoic acid has a molecular weight of 2923.25 g/mol, XLogP of 16.38, 67 rotatable bonds, 26 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methoxycarbonylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(4S)-5-[[(2S)-1-[[(2R)-1-[2-(2-chloro-4-methylphenyl)ethylamino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-(2-methylpropoxycarbonylamino)-5-oxopentanoic acid;(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-sulfanylpropanoic acid;methane;methyl 4-[2-[[(2R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;methyl 4-[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]ethyl]-3-chlorobenzoate;(2S)-2-(2-methylpropoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 159243966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).