(3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-4-[[(2S,3R)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-4-[[(2S,3R)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[(1S,2R)-1-[[(1S)-4-guanidino-1-[(2S)-2-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]butyl]carbamoyl]-2-hydroxy-propyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-[[(2S,3R)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-[[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[(2S,3R)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]propanoyl]prolyl]amino]-4-[[(1S,2R)-1-[[(1S)-4-guanidino-1-[(2S)-2-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]carbamoyl]pyrrolidine-1-carbonyl]butyl]carbamoyl]-2-hydroxy-propyl]amino]-4-keto-butyric acid Formula: C33H55N11O13 MolecularWeight: 813.8557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C2CCCN2C(=O)C(C)NC(=O)C(CO)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CO)N)O

InChI

InChI=1S/C33H55N11O13/c1-15(38-25(49)18(34)14-45)30(54)43-11-5-9-22(43)28(52)41-20(13-23(47)48)26(50)42-24(17(3)46)29(53)40-19(7-4-10-37-33(35)36)31(55)44-12-6-8-21(44)27(51)39-16(2)32(56)57/h15-22,24,45-46H,4-14,34H2,1-3H3,(H,38,49)(H,39,51)(H,40,53)(H,41,52)(H,42,50)(H,47,48)(H,56,57)(H4,35,36,37)/t15-,16-,17+,18-,19-,20-,21-,22-,24-/m0/s1