(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2S)-2-[2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-5-oxo-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-oxo-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-1,5-dioxopentyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1,5-dioxopentyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-5-keto-pentanoyl]amino]propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-keto-pentanoyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C48H76N16O12 MolecularWeight: 1069.21704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC2=CN=CN2)C(=O)O)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C48H76N16O12/c1-25(2)18-30(49)41(69)56-23-39(67)59-35(20-28-10-7-6-8-11-28)46(74)62-32(13-15-37(50)65)42(70)58-27(5)40(68)63-34(19-26(3)4)45(73)60-31(12-9-17-55-48(52)53)43(71)61-33(14-16-38(51)66)44(72)64-36(47(75)76)21-29-22-54-24-57-29/h6-8,10-11,22,24-27,30-36H,9,12-21,23,49H2,1-5H3,(H2,50,65)(H2,51,66)(H,54,57)(H,56,69)(H,58,70)(H,59,67)(H,60,73)(H,61,71)(H,62,74)(H,63,68)(H,64,72)(H,75,76)(H4,52,53,55)/t27-,30-,31-,32-,33-,34-,35-,36-/m0/s1