(3S)-4-[[(2S,3R)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-4-azanyl-1,4-bis(oxidanylidene)-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[[(2S,3R)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-4-azanyl-1,4-bis(oxidanylidene)-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-4-[[(1S,2R)-1-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-3-amino-1-[[(1S,2R)-1-[[(1S)-1-benzyl-2-hydroxy-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-oxo-propyl]carbamoyl]pentyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-3-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-4-[[(2S,3R)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[[(2S,3R)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S,3R)-3-hydroxy-1-[[(2S)-1-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-4-[[(1S,2R)-1-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-3-amino-1-[[(1S,2R)-1-[[(1S)-1-benzyl-2-hydroxy-2-keto-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-keto-propyl]carbamoyl]pentyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]-2-hydroxy-propyl]amino]-3-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-4-keto-butyric acid Formula: C40H65N13O15 MolecularWeight: 968.0222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCN=C(N)N)N)O

Isomeric SMILES

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

InChI

InChI=1S/C40H65N13O15/c1-19(55)30(37(65)50-26(39(67)68)15-21-9-4-3-5-10-21)52-34(62)24(16-28(43)57)49-33(61)23(12-6-7-13-41)47-36(64)27(18-54)51-38(66)31(20(2)56)53-35(63)25(17-29(58)59)48-32(60)22(42)11-8-14-46-40(44)45/h3-5,9-10,19-20,22-27,30-31,54-56H,6-8,11-18,41-42H2,1-2H3,(H2,43,57)(H,47,64)(H,48,60)(H,49,61)(H,50,65)(H,51,66)(H,52,62)(H,53,63)(H,58,59)(H,67,68)(H4,44,45,46)/t19-,20-,22+,23+,24+,25+,26+,27+,30+,31+/m1/s1