(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-keto-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propionic acid Formula: C25H38N6O9 MolecularWeight: 566.60402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N6O9/c1-4-12(2)20(24(38)30-18(11-32)25(39)40)31-21(35)13(3)28-23(37)17(9-14-5-7-15(33)8-6-14)29-22(36)16(26)10-19(27)34/h5-8,12-13,16-18,20,32-33H,4,9-11,26H2,1-3H3,(H2,27,34)(H,28,37)(H,29,36)(H,30,38)(H,31,35)(H,39,40)/t12-,13-,16-,17-,18-,20-/m0/s1