(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[2-[[3-[[6-[3-[[2-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-amino]propanoylamino]acridin-3-yl]amino]-3-oxidanylidene-propyl]-methyl-amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-

Systemtic Name: (2S)-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[2-[[3-[[6-[3-[[2-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-amino]propanoylamino]acridin-3-yl]amino]-3-oxidanylidene-propyl]-methyl-amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]- Openeye Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[3-[[6-[3-[[2-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]amino]-2-oxo-ethyl]-methyl-amino]propanoylamino]acridin-3-yl]amino]-3-oxo-propyl]-methyl-amino]acetyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[3-[[6-[[3-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-1-oxopropyl]amino]-3-acridinyl]amino]-3-oxopropyl]-methylamino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[3-[[6-[3-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-hydroxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]propanoylamino]acridin-3-yl]amino]-3-oxopropyl]-methylamino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[3-[[6-[3-[[2-[[(1S)-1-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S)-1-carboxy-2-methyl-propyl]carbamoyl]pentyl]carbamoyl]pentyl]carbamoyl]-4-guanidino-butyl]amino]-2-keto-ethyl]-methyl-amino]propanoylamino]acridin-3-yl]amino]-3-keto-propyl]-methyl-amino]acetyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyric acid Formula: C71H119N23O14 MolecularWeight: 1518.85026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)CN(C)CCC(=O)NC1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)NC(=O)CCN(C)CC(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CN(C)CCC(=O)NC1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)NC(=O)CCN(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)O

InChI

InChI=1S/C71H119N23O14/c1-42(2)60(68(105)106)91-66(103)52(19-9-13-31-74)89-64(101)50(17-7-11-29-72)87-62(99)48(21-15-33-80-70(76)77)85-58(97)40-93(5)35-27-56(95)82-46-25-23-44-37-45-24-26-47(39-55(45)84-54(44)38-46)83-57(96)28-36-94(6)41-59(98)86-49(22-16-34-81-71(78)79)63(100)88-51(18-8-12-30-73)65(102)90-53(20-10-14-32-75)67(104)92-61(43(3)4)69(107)108/h23-26,37-39,42-43,48-53,60-61H,7-22,27-36,40-41,72-75H2,1-6H3,(H,82,95)(H,83,96)(H,85,97)(H,86,98)(H,87,99)(H,88,100)(H,89,101)(H,90,102)(H,91,103)(H,92,104)(H,105,106)(H,107,108)(H4,76,77,80)(H4,78,79,81)/t48-,49-,50-,51-,52-,53-,60-,61-/m0/s1