4-[(2S)-2-[[(2S)-2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propyl]benzenesulfonic acid

Systemtic Name: 4-[(2S)-2-[[(2S)-2-acetamido-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanylidene-propyl]benzenesulfonic acid Openeye Name: 4-[(2S)-2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]-3-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-carbamoyl-4-guanidino-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-3-oxo-propyl]benzenesulfonic acid CAS Name: 4-[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzenesulfonic acid IUPAC Name: 4-[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-oxopropyl]benzenesulfonic acid Traditional Name: 4-[(2S)-2-[[(2S)-2-acetamido-5-guanidino-pentanoyl]amino]-3-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-1-carbamoyl-4-guanidino-butyl]amino]-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]carbamoyl]-4-guanidino-butyl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]amino]-3-keto-propyl]besylic acid Formula: C49H69N17O11S MolecularWeight: 1104.24446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)S(=O)(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCCN=C(N)N)C(=O)N

Isomeric SMILES

CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)S(=O)(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N

InChI

InChI=1S/C49H69N17O11S/c1-27(67)61-36(10-5-21-58-48(53)54)42(70)64-39(24-29-14-18-32(19-15-29)78(75,76)77)45(73)65-38(23-28-12-16-31(68)17-13-28)44(72)63-37(11-6-22-59-49(55)56)43(71)66-40(25-30-26-60-34-8-3-2-7-33(30)34)46(74)62-35(41(50)69)9-4-20-57-47(51)52/h2-3,7-8,12-19,26,35-40,60,68H,4-6,9-11,20-25H2,1H3,(H2,50,69)(H,61,67)(H,62,74)(H,63,72)(H,64,70)(H,65,73)(H,66,71)(H4,51,52,57)(H4,53,54,58)(H4,55,56,59)(H,75,76,77)/t35-,36-,37-,38-,39-,40-/m0/s1