(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-butanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-hydroxy-5-oxopentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoyl]amino]propanoyl]prolyl]amino]acetyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]hexanoic acid Formula: C40H72N16O13 MolecularWeight: 985.09908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(C)C(=O)N1CCCC1C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCN=C(N)N)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N)O

InChI

InChI=1S/C40H72N16O13/c1-20(31(61)53-24(11-7-17-48-40(45)46)34(64)54-26(38(68)69)10-4-5-15-41)50-33(63)25(13-14-29(59)60)52-28(58)19-49-35(65)27-12-8-18-56(27)37(67)21(2)51-36(66)30(22(3)57)55-32(62)23(42)9-6-16-47-39(43)44/h20-27,30,57H,4-19,41-42H2,1-3H3,(H,49,65)(H,50,63)(H,51,66)(H,52,58)(H,53,61)(H,54,64)(H,55,62)(H,59,60)(H,68,69)(H4,43,44,47)(H4,45,46,48)/t20-,21-,22+,23-,24-,25-,26-,27-,30-/m0/s1