(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-5-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S,3R)-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-5-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S,3R)-1-[[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-5-[[(1S)-1-[[(1S,2R)-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-guanidino-butyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-5-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S,3R)-1-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-5-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S,3R)-1-[[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-5-[[(1S)-1-[[(1S,2R)-1-[[(1S,2R)-1-carboxy-2-hydroxy-propyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-4-guanidino-butyl]amino]-5-keto-valeric acid Formula: C39H68N16O14 MolecularWeight: 985.05602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)N

Isomeric SMILES

C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)N)O

InChI

InChI=1S/C39H68N16O14/c1-17(2)27(53-33(64)24(13-20-14-45-16-48-20)51-34(65)25(15-56)52-30(61)21(40)7-5-11-46-38(41)42)35(66)50-23(9-10-26(59)60)31(62)49-22(8-6-12-47-39(43)44)32(63)54-28(18(3)57)36(67)55-29(19(4)58)37(68)69/h14,16-19,21-25,27-29,56-58H,5-13,15,40H2,1-4H3,(H,45,48)(H,49,62)(H,50,66)(H,51,65)(H,52,61)(H,53,64)(H,54,63)(H,55,67)(H,59,60)(H,68,69)(H4,41,42,46)(H4,43,44,47)/t18-,19-,21+,22+,23+,24+,25+,27+,28+,29+/m1/s1