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

Systemtic Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-phenyl-propan-2-yl]amino]hexan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-benzyl-2-[[(1S)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-hydroxy-3-oxo-propyl]amino]-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-1-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-1-benzyl-2-[[(1S)-2-hydroxy-2-keto-1-methyl-ethyl]amino]-2-keto-ethyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]carbamoyl]-3-hydroxy-3-keto-propyl]amino]-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-keto-valeric acid Formula: C63H92N14O15 MolecularWeight: 1285.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C63H92N14O15/c1-6-37(4)52(77-60(89)46(31-36(2)3)73-53(82)42(65)32-39-19-10-7-11-20-39)61(90)76-48(34-41-23-14-9-15-24-41)58(87)72-45(27-28-50(78)79)56(85)75-49(35-51(80)81)59(88)71-44(26-18-30-68-63(66)67)54(83)70-43(25-16-17-29-64)55(84)74-47(33-40-21-12-8-13-22-40)57(86)69-38(5)62(91)92/h7-15,19-24,36-38,42-49,52H,6,16-18,25-35,64-65H2,1-5H3,(H,69,86)(H,70,83)(H,71,88)(H,72,87)(H,73,82)(H,74,84)(H,75,85)(H,76,90)(H,77,89)(H,78,79)(H,80,81)(H,91,92)(H4,66,67,68)/t37-,38-,42-,43-,44-,45-,46-,47-,48-,49-,52-/m0/s1