(2S,3S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-(2-hydroxyethylamino)-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-3-methyl-pentanamide

Systemtic Name: (2S,3S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-5-[bis(azanyl)methylideneamino]-1-(2-hydroxyethylamino)-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-3-methyl-pentanamide Openeye Name: (2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[[(1S)-2-[[(1S)-4-guanidino-1-(2-hydroxyethylcarbamoyl)butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]-3-methyl-pentanamide CAS Name: (2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-N-[2-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-(2-hydroxyethylamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylpentanamide IUPAC Name: (2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-(2-hydroxyethylamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylpentanamide Traditional Name: (2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[2-[[(1S)-2-[[(1S)-4-guanidino-1-(2-hydroxyethylcarbamoyl)butyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-ethyl]-3-methyl-valeramide Formula: C28H47N9O8 MolecularWeight: 637.72828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H47N9O8/c1-3-16(2)23(37-24(42)19(29)13-17-6-8-18(40)9-7-17)27(45)34-14-22(41)35-21(15-39)26(44)36-20(25(43)32-11-12-38)5-4-10-33-28(30)31/h6-9,16,19-21,23,38-40H,3-5,10-15,29H2,1-2H3,(H,32,43)(H,34,45)(H,35,41)(H,36,44)(H,37,42)(H4,30,31,33)/t16-,19-,20-,21-,23-/m0/s1