(2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-3-methyl-butyric acid Formula: C42H71N11O12 MolecularWeight: 922.07964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(C(C)C)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(C(C)CC)NC(=O)C(C(C)O)NC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C42H71N11O12/c1-9-21(5)31(37(60)48-28(12-11-17-46-42(44)45)36(59)47-19-29(57)49-30(20(3)4)41(64)65)50-40(63)34(24(8)55)53-38(61)32(22(6)10-2)51-39(62)33(23(7)54)52-35(58)27(43)18-25-13-15-26(56)16-14-25/h13-16,20-24,27-28,30-34,54-56H,9-12,17-19,43H2,1-8H3,(H,47,59)(H,48,60)(H,49,57)(H,50,63)(H,51,62)(H,52,58)(H,53,61)(H,64,65)(H4,44,45,46)/t21-,22-,23+,24+,27-,28-,30-,31-,32-,33-,34-/m0/s1