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

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-azanylpropanoyl]amino]-3-oxidanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]propanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[[(2S)-1-[(2S,3R)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxopropyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxy-butanoyl]prolyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]prolyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-3-hydroxy-propionic acid Formula: C40H69N13O14 MolecularWeight: 956.05456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CO)C(=O)N1CCCC1C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)NC(CO)C(=O)O)NC(=O)C2CCCN2C(=O)C(C(C)O)NC(=O)C(C)N

Isomeric SMILES

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

InChI

InChI=1S/C40H69N13O14/c1-6-19(2)29(50-35(62)27-12-9-15-53(27)38(65)30(22(5)56)51-31(58)20(3)41)36(63)48-24(17-54)37(64)52-14-8-11-26(52)34(61)45-16-28(57)47-23(10-7-13-44-40(42)43)33(60)46-21(4)32(59)49-25(18-55)39(66)67/h19-27,29-30,54-56H,6-18,41H2,1-5H3,(H,45,61)(H,46,60)(H,47,57)(H,48,63)(H,49,59)(H,50,62)(H,51,58)(H,66,67)(H4,42,43,44)/t19-,20-,21-,22+,23-,24-,25-,26-,27-,29-,30-/m0/s1