(2S)-2-[[(2R)-2-[[(2R)-2-(2-acetamidoethanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-N-[(2R)-1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-5-[bis(azanyl)methylideneamino]pentanamide

Systemtic Name: (2S)-2-[[(2R)-2-[[(2R)-2-(2-acetamidoethanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-N-[(2R)-1-azanyl-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-5-[bis(azanyl)methylideneamino]pentanamide Openeye Name: (2S)-2-[[(2R)-2-[[(2R)-2-[(2-acetamidoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-N-[(1R)-2-amino-1-(2-naphthylmethyl)-2-oxo-ethyl]-5-guanidino-pentanamide CAS Name: (2S)-2-[[(2R)-2-[[(2R)-2-[(2-acetamido-1-oxoethyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-N-[(2R)-1-amino-3-(2-naphthalenyl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide IUPAC Name: (2S)-2-[[(2R)-2-[[(2R)-2-[(2-acetamidoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2R)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide Traditional Name: (2S)-2-[[(2R)-2-[[(2R)-2-[(2-acetamidoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-N-[(1R)-2-amino-2-keto-1-(2-naphthylmethyl)ethyl]-5-guanidino-valeramide Formula: C38H52N12O7 MolecularWeight: 788.89568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)N

Isomeric SMILES

CC(=O)NCC(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N

InChI

InChI=1S/C38H52N12O7/c1-22(51)46-21-32(53)47-31(19-23-11-14-27(52)15-12-23)36(57)49-28(8-4-16-44-37(40)41)34(55)48-29(9-5-17-45-38(42)43)35(56)50-30(33(39)54)20-24-10-13-25-6-2-3-7-26(25)18-24/h2-3,6-7,10-15,18,28-31,52H,4-5,8-9,16-17,19-21H2,1H3,(H2,39,54)(H,46,51)(H,47,53)(H,48,55)(H,49,57)(H,50,56)(H4,40,41,44)(H4,42,43,45)/t28-,29+,30-,31-/m1/s1