(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-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-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-4-methyl-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-5-[[(1S)-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]-3-methyl-butyl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-5-[[(2S)-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (4S)-5-[[(1S)-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]-3-methyl-butyl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-5-keto-valeric acid Formula: C47H77N13O15 MolecularWeight: 1064.19238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H77N13O15/c1-24(2)20-31(44(72)60-37(25(3)4)46(74)75)57-41(69)30(16-17-35(62)63)55-43(71)33(22-36(64)65)58-45(73)34(23-61)59-40(68)29(15-11-19-52-47(50)51)54-38(66)26(5)53-42(70)32(21-27-12-7-6-8-13-27)56-39(67)28(49)14-9-10-18-48/h6-8,12-13,24-26,28-34,37,61H,9-11,14-23,48-49H2,1-5H3,(H,53,70)(H,54,66)(H,55,71)(H,56,67)(H,57,69)(H,58,73)(H,59,68)(H,60,72)(H,62,63)(H,64,65)(H,74,75)(H4,50,51,52)/t26-,28-,29-,30-,31-,32-,33-,34-,37-/m0/s1