(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-ethylphenyl)propanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-ethylphenyl)propanoyl]amino]ethanoylamino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-ethylphenyl)propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-ethylphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-ethylphenyl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-ethylphenyl)propanoyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-valeric acid Formula: C38H64N10O9 MolecularWeight: 804.97636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC(C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CO)N

Isomeric SMILES

CCC1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)N

InChI

InChI=1S/C38H64N10O9/c1-8-23-11-13-24(14-12-23)17-28(46-35(54)30(21(4)5)48-36(55)31(22(6)7)47-32(51)25(39)19-49)33(52)43-18-29(50)44-27(16-20(2)3)34(53)45-26(37(56)57)10-9-15-42-38(40)41/h11-14,20-22,25-28,30-31,49H,8-10,15-19,39H2,1-7H3,(H,43,52)(H,44,50)(H,45,53)(H,46,54)(H,47,51)(H,48,55)(H,56,57)(H4,40,41,42)/t25-,26-,27-,28-,30-,31-/m0/s1